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Compound Detail

CHEMBL4876963

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O=C(O)c1cccc(OCc2ccc(Oc3ccccc3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4876963
Phase Preclinical
Structure Type MOL
InChI Key HMIFPJYGCVMBMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.3
MW (Da)
4.76
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16O4
MW 320.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
33360559 10.1016/j.ejmech.2020.113106 Bile acid receptor 1

Data from ChEMBL 36 via Core Engine